3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C18H21N3O — CID 77097752

IUPAC3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2cc3ccccc3n2C)on1
InChIInChI=1S/C18H21N3O/c1-13-10-18(22-19-13)17-8-5-9-21(17)12-15-11-14-6-3-4-7-16(14)20(15)2/h3-4,6-7,10-11,17H,5,8-9,12H2,1-2H3
InChIKeyXZYXZPNUZKIXKZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.81
Rot. Bonds3

About 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 77097752) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID77097752
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2cc3ccccc3n2C)on1
InChIInChI=1S/C18H21N3O/c1-13-10-18(22-19-13)17-8-5-9-21(17)12-15-11-14-6-3-4-7-16(14)20(15)2/h3-4,6-7,10-11,17H,5,8-9,12H2,1-2H3
InChIKeyXZYXZPNUZKIXKZ-UHFFFAOYSA-N
XLogP3.81
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 77097752) is 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1cc(C2CCCN2Cc2cc3ccccc3n2C)on1.
What is the InChIKey of 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is XZYXZPNUZKIXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-10-18(22-19-13)17-8-5-9-21(17)12-15-11-14-6-3-4-7-16(14)20(15)2/h3-4,6-7,10-11,17H,5,8-9,12H2,1-2H3.
What are the key properties of 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 295.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 77097752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).